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Orientation and Vibrational Dynamics of Rhenium Bipyridyl
CO2-Reduction Catalysts on Model Electrode
Surfaces
1 of 10
Simulations of Lipid Sorting Effects near Transmembrane
Peptide
2 of 10
Dynamics Calculations of Several Atmospheric Reactions on Global
Potential Energy Surfaces
3 of 10
Theoretical Studies of Unusual Molecular Vibrational
Dynamics
4 of 10
Charge Separation Dynamics between Semiconductor Nanoparticles and
Molecular Adsorbates
5 of 10
Spectroscopic studies of molecules that challenge computational
chemistry
6 of 10
Single- and Double-Component Atomistic Models of
Phosphatidylcholine Lipid Bilayers in the Gel and Liquid
Crystalline Phases
7 of 10
Elasticity and Structure of Self-Assembled Systems with Defects and
Inclusions
8 of 10
Development and Applications of Orthogonality Constrained Density
Functional Theory for the Accurate Simulation of X-Ray Absorption
Spectroscopy
9 of 10
Potential Energy Surfaces and the Applications to Reaction Dynamics
and Molecular Vibrations
10 of 10